(3S)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-3,5-dimethyl-6-oxidanylidene-cyclohexene-1-carbonitrile

Systemtic Name: (3S)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-3,5-dimethyl-6-oxidanylidene-cyclohexene-1-carbonitrile Openeye Name: (3S)-3-[(E)-2-(4-hydroxyphenyl)vinyl]-3,5-dimethyl-6-oxo-cyclohexene-1-carbonitrile CAS Name: (3S)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-3,5-dimethyl-6-oxo-1-cyclohexenecarbonitrile IUPAC Name: (3S)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-3,5-dimethyl-6-oxocyclohexene-1-carbonitrile Traditional Name: (3S)-3-[(E)-2-(4-hydroxyphenyl)vinyl]-6-keto-3,5-dimethyl-cyclohexene-1-carbonitrile Formula: C17H17NO2 MolecularWeight: 267.32238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C=C(C1=O)C#N)(C)C=CC2=CC=C(C=C2)O

Isomeric SMILES

CC1C[C@@](C=C(C1=O)C#N)(C)/C=C/C2=CC=C(C=C2)O

InChI

InChI=1S/C17H17NO2/c1-12-9-17(2,10-14(11-18)16(12)20)8-7-13-3-5-15(19)6-4-13/h3-8,10,12,19H,9H2,1-2H3/b8-7+/t12?,17-/m1/s1